2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide

C16H17N5O4S — CID 75396064

IUPAC2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide
SMILESCc1cnc(N)c(S(=O)(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1
InChIInChI=1S/C16H17N5O4S/c1-10-5-13(15(17)18-7-10)26(24,25)20-12-4-2-3-11(6-12)9-21-14(22)8-19-16(21)23/h2-7,20H,8-9H2,1H3,(H2,17,18)(H,19,23)
InChIKeyQXHIYDWGPCRXPC-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.82
Rot. Bonds5

About 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide

2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide (PubChem CID 75396064) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide
PubChem CID75396064
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide
SMILESCc1cnc(N)c(S(=O)(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1
InChIInChI=1S/C16H17N5O4S/c1-10-5-13(15(17)18-7-10)26(24,25)20-12-4-2-3-11(6-12)9-21-14(22)8-19-16(21)23/h2-7,20H,8-9H2,1H3,(H2,17,18)(H,19,23)
InChIKeyQXHIYDWGPCRXPC-UHFFFAOYSA-N
XLogP0.82
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide (CID 75396064) is 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide is Cc1cnc(N)c(S(=O)(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1.
What is the InChIKey of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide?
The InChIKey is QXHIYDWGPCRXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-10-5-13(15(17)18-7-10)26(24,25)20-12-4-2-3-11(6-12)9-21-14(22)8-19-16(21)23/h2-7,20H,8-9H2,1H3,(H2,17,18)(H,19,23).
What are the key properties of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide?
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide has a molecular weight of 375.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide is sourced from PubChem (CID 75396064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).